0 B8R1.2 C#CC1=CC=CN=N1 37154 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 NNC1=CN=CN=C1 P12524 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.1 C=CC1=CN=C(Br)C=C1 68606 [0,1,0,0,0,0|2,0,0]=3 3 B9R1.1 C=CC1=CNC(=O)C=C1 W19299 [0,1,0,0,0,0|2,0,0]=3 4 B9R1.1 CC1=CN=C(C=O)N=C1 38637 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.1 CC1=NN=C(C=O)C=C1 97332 [0,1,0,0,0,0|2,0,0]=3 6 B9R1.1 O=CC1=NC=C(F)C=N1 38374 [0,1,0,0,0,0|2,0,0]=3 7 B9R1.2 C#CC1=CC(C)=NC=C1 D79801 [0,1,0,0,0,0|2,0,1]=4 8 B9R1.2 CC1=CC=NC(C=O)=N1 P10996 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.2 ClC1=CC(CBr)=NC=C1 78953 [0,1,0,0,0,0|2,0,1]=4 10 B9R1.2 ClCC1=NC=CC(Br)=C1 D74784 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.2 FC1=CC(CBr)=CN=C1 89068 [0,1,0,0,0,0|2,0,1]=4 12 B9R1.2 NC1=CC(CO)=NC=C1 P19020 [0,1,0,0,0,0|1,0,2]=4 13 B9R1.2 O=CC1=NC=CC(Cl)=N1 F19651 [0,1,0,0,0,0|2,0,0]=3 14 B9R1.2 O=CC1=NC=CC(F)=C1 P11634 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.2 OCC1=NC=CC(F)=C1 79250 [0,1,0,0,0,0|1,0,2]=4 16 B9R1.8 CSCC1=NC=CC=C1 W19655 [0,1,0,0,0,0|1,1,1]=4 17 B9R1.8 NNCC1=CC=NC=C1 78931 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.8 [C-]#[N+]CC1=NC=CC=C1 78723 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.15 CC1=C(CBr)C=CN=C1 D80203 [0,1,0,0,0,0|2,0,1]=4 20 B9R1.15 CSC1=C(N)N=CC=C1 D83379 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.15 N#CC1=C(O)C=CN=C1 62397 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.15 NC1=C(C=O)C=CN=C1 25684 [0,1,0,0,0,0|1,0,0]=2 23 B9R1.15 NC1=CN=CN=C1C=O P14889 [0,1,0,0,0,0|2,0,0]=3 24 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.15 NNC1=CC=CN=C1Cl Y14739 [0,1,0,0,0,0|3,0,0]=4 27 B8R1.3 O=C1C=CC(Br)=CO1 D86222 [1,1,0,0,0,0|1,0,0]=3 28 B8R1.4 NC1=CC(=O)NN=C1 20219 [1,1,0,0,0,0|2,0,0]=4 29 B8R1.4 NC1=CC(I)=NC=C1 D96556 [1,1,0,0,0,0|2,0,0]=4 30 B8R1.4 O=C1C=COC(=O)C1 A11284 [1,1,0,0,0,0|1,0,1]=4 31 B8R1.5 NC1=CC=NNC1=O 36341 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.1 OC1=CC=C(CCF)C=C1 W16630 [0,2,0,0,0,0|1,0,1]=4 33 B10R1.3 COC1=CN=C(C=O)N=C1 P10965 [0,2,0,0,0,0|2,0,0]=4 34 B10R1.3 COC1=NN=C(C=O)C=C1 P20548 [0,2,0,0,0,0|2,0,0]=4 35 B10R1.3 O=CC1=NC=C(CO)C=N1 AC2016 [0,2,0,0,0,0|2,0,0]=4 36 B10R1.13 CC(=O)C1=NN=C(O)C=C1 Y11094 [0,2,0,0,0,0|2,0,0]=4 37 B10R1.13 NC(=O)C1=CN=C(Cl)N=C1 D72721 [0,2,0,0,0,0|2,0,0]=4 38 B10R1.13 NC(=O)C1=NC=C(O)N=C1 11939 [0,2,0,0,0,0|2,0,0]=4 39 B10R1.13 O=[N+]([O-])[13C]1=[13CH][13CH]=[13C](F)[13CH]=[13CH]1 35002 [0,2,0,0,0,0|1,0,0]=3 40 B10R1.25 CC1=CC(Cl)=C(CN)C=C1 Y13953 [0,2,0,0,0,0|1,0,1]=4 41 B10R1.25 CC1=CC(F)=C(C=O)N=C1 AT25473 [0,2,0,0,0,0|1,0,0]=3 42 B10R1.25 CC1=NC(N)=C(C=O)C=C1 78725 [0,2,0,0,0,0|1,0,0]=3 43 B10R1.25 O=CC1=C(Br)C=C(Cl)N=C1 CL0318 [0,2,0,0,0,0|1,0,0]=3 44 B10R1.25 O=CC1=C(Cl)C=C(F)N=C1 CL0320 [0,2,0,0,0,0|1,0,0]=3 45 B10R1.25 O=CC1=CN=C(Cl)C=C1F AC8394 [0,2,0,0,0,0|1,0,0]=3 46 B10R1.176 C#CC1=CC(N)=C(F)C=C1 C71057 [0,2,0,0,0,0|1,0,1]=4 47 B10R1.176 CC1=C(Cl)C=CC(C=O)=N1 D88030 [0,2,0,0,0,0|1,0,0]=3 48 B10R1.176 CN1C=CC(C=O)=CC1=O P13362 [0,2,0,0,0,0|1,0,0]=3 49 B10R1.176 NCC1=CC(Br)=C(O)C=C1 W19427 [0,2,0,0,0,0|1,0,1]=4 50 B10R1.2 CC1=C(C=O)C=CN=C1Cl C76531 [0,2,0,0,0,0|1,0,0]=3 51 B10R1.2 CC1=CC=CC(CCl)=C1F E70216 [0,2,0,0,0,0|1,0,1]=4 52 B10R1.2 CN1C(=O)C=CC=C1C=O AT19298 [0,2,0,0,0,0|1,0,0]=3 53 B10R1.2 CNC1=C(N)C(C)=CC=C1 C76359 [0,2,0,0,0,0|2,0,0]=4 54 B10R1.2 NC1=C(Cl)C(CO)=CC=C1 D96960 [0,2,0,0,0,0|0,0,2]=4 55 B10R1.2 NC1=CC=CC(CO)=C1N C74417 [0,2,0,0,0,0|0,0,2]=4 56 B10R1.2 NCC1=CC=CC(O)=C1O D96331 [0,2,0,0,0,0|1,0,1]=4 57 B10R1.8 NCC1=CC(F)=CC(O)=C1 Y14108 [0,2,0,0,0,0|1,0,1]=4 58 B10R1.8 O=CC1=CC(Cl)=CC(Cl)=N1 C72313 [0,2,0,0,0,0|1,0,0]=3 59 B10R1.30 NCC1=C(O)C=CC(O)=C1 Y13730 [0,2,0,0,0,0|1,0,1]=4 60 B10R1.30 O=CC1=CC(F)=CN=C1O AT21536 [0,2,0,0,0,0|1,0,0]=3 61 B10R1.113 CC(=O)C1=NC(N)=CC=C1 D85223 [0,2,0,0,0,0|1,0,0]=3 62 B10R1.113 CC1=CC(C(=O)O)=CN=N1 P12606 [0,2,0,0,0,0|2,0,0]=4 63 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y14695 [0,2,0,0,0,0|1,0,1]=4 64 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 D85250 [0,2,0,0,0,0|1,0,1]=4 65 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 D79763 [0,2,0,0,0,0|1,0,0]=3 66 B10R1.113 O=C(O)C1=CC(Cl)=CN=N1 C71768 [0,2,0,0,0,0|2,0,0]=4 67 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [0,2,0,0,0,0|1,0,0]=3 68 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 72624 [0,2,0,0,0,0|1,0,1]=4 69 B10R1.61 CC1=C(C(=O)O)C=NN=C1 37530 [0,2,0,0,0,0|2,0,0]=4 70 B10R1.61 C[C@H](N)C1=C(O)C=CC=C1 Y13669 [0,2,0,0,0,0|1,0,1]=4 71 B10R1.61 O=C(O)C1=C(F)C=NC=N1 P13931 [0,2,0,0,0,0|2,0,0]=4 72 B10R1.61 O=C(O)C1=C(S)C=CC=N1 D94966 [0,2,0,0,0,0|1,0,0]=3 73 B10R1.4 FC1=C(C#CBr)C=CC=C1 D79955 [0,2,0,0,0,0|1,0,1]=4 74 B10R1.17 NNCCC1=CC=CC=C1 74134 [0,2,0,0,0,0|1,0,1]=4 75 B10R1.18 CC(=O)NC1=NC=NC=C1 78895 [0,2,0,0,0,0|2,0,0]=4 76 B10R1.18 O=C(O)CC1=NN=CC=C1 P15950 [0,2,0,0,0,0|2,0,0]=4 77 B10R1.20 O=CC1=C(CBr)C=CC=C1 AB10132 [0,2,0,0,0,0|0,0,0]=2 78 B10R1.245 C=CC1=C(Cl)C=CN=C1O P18283 [0,2,0,0,0,0|2,0,0]=4 79 B10R1.245 CC1=CC=CC(Br)=C1C=O W19253 [0,2,0,0,0,0|0,0,0]=2 80 B10R1.245 CC1=CC=CC(Cl)=C1CN Y11683 [0,2,0,0,0,0|1,0,1]=4 81 B10R1.245 N#CC1=C(O)C=CC=C1N AT15778 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.245 N#CC1=C(O)C=CC=C1O Y14713 [0,2,0,0,0,0|1,0,1]=4 83 B10R1.245 NCC1=C(Br)C=CC=C1Br Y14043 [0,2,0,0,0,0|1,0,1]=4 84 B10R2.6 C1=CC=C([C@@H]2CN2)C=C1 86778 [0,1,0,1,0,0|1,0,1]=4 85 B6R1.2 FC1=CSC=C1 T72274 [1,0,0,0,1,0|2,0,0]=4